(3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride

C10H14ClF2NO2 — CID 171215813

IUPAC(3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1cc(F)c([C@H](N)CCO)c(F)c1.Cl
InChIInChI=1S/C10H13F2NO2.ClH/c1-15-6-4-7(11)10(8(12)5-6)9(13)2-3-14;/h4-5,9,14H,2-3,13H2,1H3;1H/t9-;/m1./s1
InChIKeyWIJGDJPQDRMFSI-SBSPUUFOSA-N
MW253.68 g/mol
LogP1.78
Rot. Bonds4

About (3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride

(3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 171215813) has the molecular formula C10H14ClF2NO2 and a molecular weight of 253.68 g/mol. Its IUPAC name is (3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
PubChem CID171215813
Molecular FormulaC10H14ClF2NO2
Molecular Weight253.68 g/mol
Exact Mass253.07
IUPAC Name(3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1cc(F)c([C@H](N)CCO)c(F)c1.Cl
InChIInChI=1S/C10H13F2NO2.ClH/c1-15-6-4-7(11)10(8(12)5-6)9(13)2-3-14;/h4-5,9,14H,2-3,13H2,1H3;1H/t9-;/m1./s1
InChIKeyWIJGDJPQDRMFSI-SBSPUUFOSA-N
XLogP1.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171215809
(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171215785
(1S)-1-(2,6-difluoro-4-methoxyphenyl)pentane-1,5-diamine
CID 171235409
1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine
CID 54880583
methyl 6-amino-6-(2,6-difluoro-4-methoxyphenyl)hexanoate
CID 60964960
(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol
CID 131090979
1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992878
(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992875
(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171214010
2-[(1R)-1-amino-3-hydroxypropyl]-3,5-difluorophenol;hydrochloride
CID 171256534
(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol
CID 171201068
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride (CID 171215813) is (3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride is COc1cc(F)c([C@H](N)CCO)c(F)c1.Cl.
What is the InChIKey of (3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is WIJGDJPQDRMFSI-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H13F2NO2.ClH/c1-15-6-4-7(11)10(8(12)5-6)9(13)2-3-14;/h4-5,9,14H,2-3,13H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride?
(3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 253.68 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171215813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).